N-[2,5-diethoxy-4-(1,2,3,4-tetrazol-1-yl)phenyl]adamantane-1-carboxamide

Systemtic Name: N-[2,5-diethoxy-4-(1,2,3,4-tetrazol-1-yl)phenyl]adamantane-1-carboxamide Openeye Name: N-[2,5-diethoxy-4-(tetrazol-1-yl)phenyl]adamantane-1-carboxamide CAS Name: N-[2,5-diethoxy-4-(1-tetrazolyl)phenyl]-1-adamantanecarboxamide IUPAC Name: N-[2,5-diethoxy-4-(tetrazol-1-yl)phenyl]adamantane-1-carboxamide Traditional Name: N-[2,5-diethoxy-4-(tetrazol-1-yl)phenyl]adamantane-1-carboxamide Formula: C22H29N5O3 MolecularWeight: 411.49736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1N2C=NN=N2)OCC)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC1=CC(=C(C=C1N2C=NN=N2)OCC)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H29N5O3/c1-3-29-19-9-18(27-13-23-25-26-27)20(30-4-2)8-17(19)24-21(28)22-10-14-5-15(11-22)7-16(6-14)12-22/h8-9,13-16H,3-7,10-12H2,1-2H3,(H,24,28)